Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2221653 | 0.98 | MDM2 (0.48) | MDM2LMNACES1CES2ALKBH5 | |
| Hydrochloric Acid SCHEMBL2356480 | 0.96 | MDM2 (0.47) | MDM2LMNACES1CES2ALKBH5 | |
| Bromide SCHEMBL2356766 | 0.96 | MDM2 (0.47) | MDM2LMNACES1CES2ALKBH5 | |
| Iodide SCHEMBL2353850 | 0.96 | MDM2 (0.47) | MDM2LMNACES1CES2ALKBH5 | |
| SCHEMBL5144207 | 0.81 | LMNA (0.44) | LMNAPGRADRA2AADRA2BHTR2A | |
| Iodide SCHEMBL11214733 | 0.80 | LMNA (0.42) | LMNATDP1L3MBTL1MAPTNPC1 | |
| Water SCHEMBL16321970 | 0.80 | ALDH1A1 (0.46) | LMNATDP1L3MBTL1MAPTMAPK1 | |
| SCHEMBL11020500 | 0.80 | CA12 (0.46) | MAPTCHRM2CHRM1CHRM3CA12 | |
| Iodide SCHEMBL10522536 | 0.78 | CES2 (0.49) | CES1CES2TDP1MAPTMAPK1 | |
| SCHEMBL11122619 | 0.77 | ALDH1A1 (0.49) | LMNACES1CES2HTTKMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9057959-B2 | Developer for photosensitive resist material and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-06-16 | — | — | US | claimed |
| US-20140377706-A1 | DEVELOPER FOR PHOTOSENSITIVE RESIST MATERIAL AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-12-25 | — | — | US | claimed |
| US-9057959-B2 | Developer for photosensitive resist material and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-06-16 | — | — | US | disclosed |
| US-20140377706-A1 | DEVELOPER FOR PHOTOSENSITIVE RESIST MATERIAL AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-12-25 | — | — | US | disclosed |